4-(3-Methyl-2,9-dioxo-1-oxa-6-azaspiro[4.4]nona-3,7-dien-8-yl)cyclohexene-1-carboxylic acid
| Internal ID | ca8a6c5d-717f-40d8-827d-fa47292d3bc5 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Alpha-acyloxy carbonyl compounds > Alpha-acyloxy ketones |
| IUPAC Name | 4-(3-methyl-2,9-dioxo-1-oxa-6-azaspiro[4.4]nona-3,7-dien-8-yl)cyclohexene-1-carboxylic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C15H15NO5/c1-8-6-15(21-14(8)20)12(17)11(7-16-15)9-2-4-10(5-3-9)13(18)19/h4,6-7,9,16H,2-3,5H2,1H3,(H,18,19) |
| InChI Key | URLXNUFTDUXVQZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H15NO5 |
| Molecular Weight | 289.28 g/mol |
| Exact Mass | 289.09502258 g/mol |
| Topological Polar Surface Area (TPSA) | 92.70 Ų |
| XlogP | 1.60 |
| There are no found synonyms. |
![2D Structure of 4-(3-Methyl-2,9-dioxo-1-oxa-6-azaspiro[4.4]nona-3,7-dien-8-yl)cyclohexene-1-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/4-3-methyl-29-dioxo-1-oxa-6-azaspiro44nona-37-dien-8-ylcyclohexene-1-carboxylic-acid.jpg "2D Structure of 4-(3-Methyl-2,9-dioxo-1-oxa-6-azaspiro[4.4]nona-3,7-dien-8-yl)cyclohexene-1-carboxylic acid")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.78% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.34% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.51% | 99.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.26% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.02% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.20% | 91.11% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 87.68% | 93.99% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.44% | 90.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 84.29% | 93.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 84.09% | 93.03% |
| CHEMBL2850 | P49840 | Glycogen synthase kinase-3 alpha | 83.29% | 88.84% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.00% | 93.56% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.79% | 92.50% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.55% | 94.45% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
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| There are no matching plants. |
| PubChem | 162877284 |
| LOTUS | LTS0211677 |
| wikiData | Q104198792 |